3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline

C19H17ClN2 — CID 1486694

IUPAC3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline
SMILESClc1ccc(-c2cc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C19H17ClN2/c20-16-9-7-14(8-10-16)17-13-15-5-1-2-6-18(15)21-19(17)22-11-3-4-12-22/h1-2,5-10,13H,3-4,11-12H2
InChIKeyPOTQMUHEXULPMH-UHFFFAOYSA-N
MW308.81 g/mol
LogP5.16
Rot. Bonds2

About 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline

3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline (PubChem CID 1486694) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline
PubChem CID1486694
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC Name3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline
SMILESClc1ccc(-c2cc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C19H17ClN2/c20-16-9-7-14(8-10-16)17-13-15-5-1-2-6-18(15)21-19(17)22-11-3-4-12-22/h1-2,5-10,13H,3-4,11-12H2
InChIKeyPOTQMUHEXULPMH-UHFFFAOYSA-N
XLogP5.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline?
The IUPAC name of 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline (CID 1486694) is 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline?
The canonical SMILES for 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline is Clc1ccc(-c2cc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline?
The InChIKey is POTQMUHEXULPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2/c20-16-9-7-14(8-10-16)17-13-15-5-1-2-6-18(15)21-19(17)22-11-3-4-12-22/h1-2,5-10,13H,3-4,11-12H2.
What are the key properties of 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline?
3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline has a molecular weight of 308.81 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 1486694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).